SCHEMBL473704

SCHEMBL473704

Nc1ncccc1-c1cc(-c2cccnc2)ncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
MAP4K4 O95819 1/20 0.45
CYP2A6 P11509 4/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PTK2 Q05397 1/20 0.44
CHEK2 O96017 1/20 0.43
PIM1 P11309 4/20 0.43
PIM3 Q86V86 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
CYP3A4 P08684 1/20 0.42
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPY5R Q15761 1/20 0.41
KDM4E B2RXH2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1561017 0.86 CHEK2 (0.44) ADORA2ACYP2A6LOXL2HSP90AA1HSP90AB1
SCHEMBL473747 0.84 JAK2 (0.44) ADORA2ACYP2A6LOXL2HSP90AA1HSP90AB1
SCHEMBL11935892 0.83 CYP2A6 (0.51) MAP4K4CYP2A6LOXL2HSP90AA1HSP90AB1
SCHEMBL1560831 0.80 PDE4A (0.42) ADORA2ACYP2A6LOXL2CHEK2CYP3A4
SCHEMBL12594726 0.79 KDM4E (0.44) ADORA2ACYP2A6LOXL2HSP90AA1HSP90AB1
SCHEMBL1560539 0.79 MAP4K4 (0.45) MAP4K4MKNK1MKNK2AKT1AKT2
SCHEMBL29576461 0.78 MAP4K4 (0.59) MAP4K4CYP2A6HSP90AA1HSP90AB1PTK2
SCHEMBL3949315 0.78 MAP4K4 (0.59) MAP4K4CYP2A6HSP90AA1HSP90AB1PTK2
SCHEMBL12594372 0.76 PIM1 (0.47) ADORA2ACYP2A6LOXL2HSP90AA1HSP90AB1
SCHEMBL1978989 0.76 NPC1 (0.58) CYP3A4NPC1RAB9AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 ADORA2A 352/4885MAP4K4 4255/4885CYP2A6 1471/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.